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CHEBI:6521 - lonchocarpenin

ChEBI IDCHEBI:6521
ChEBI Namelonchocarpenin
Stars
DefinitionA hydroxycoumarin that is 2H,8H-benzo[1,2-b:5,4-b']dipyran-2-one substituted by a hydroxy group at position 4, a methoxy group at position 5, 4-methoxyphenyl group at position 3 and two methyl groups at position 8 respectively.
Last Modified24 June 2015
DownloadsMolfile
FormulaC27H28O6
Net Charge0
Average Mass448.515
Monoisotopic Mass448.18859
SMILESCOc1ccc(-c2c(O)c3c(OC)c4c(c(CC=C(C)C)c3oc2=O)OC(C)(C)C=C4)cc1
InChIInChI=1S/C27H28O6/c1-15(2)7-12-18-23-19(13-14-27(3,4)33-23)24(31-6)21-22(28)20(26(29)32-25(18)21)16-8-10-17(30-5)11-9-16/h7-11,13-14,28H,12H2,1-6H3
InChIKeyCCYKXDPVYWRNMH-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Millettia richardiana (ncbitaxon:62121) stem (BTO:0001300) PubMed (24079177)
Roles Classification
Biological Roles:
antiprotozoal drug  Any antimicrobial drug which is used to treat or prevent protozoal infections.
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
Application:
antiprotozoal drug  Any antimicrobial drug which is used to treat or prevent protozoal infections.
ChEBI Ontology
Outgoing Relation(s)
lonchocarpenin (CHEBI:6521) has role antiprotozoal drug (CHEBI:35820)
lonchocarpenin (CHEBI:6521) has role plant metabolite (CHEBI:76924)
lonchocarpenin (CHEBI:6521) is a hydroxycoumarin (CHEBI:37912)
lonchocarpenin (CHEBI:6521) is a monomethoxybenzene (CHEBI:25235)
IUPAC Name 
4-hydroxy-5-methoxy-3-(4-methoxyphenyl)-8,8-dimethyl-10-(3-methylbut-2-en-1-yl)-2H,8H-benzo[1,2-b:5,4-b']dipyran-2-one
Manual XrefsDatabases
C10491KEGG COMPOUND
C00002543KNApSAcK
Registry NumbersSources
Reaxys:27068675Reaxys
CAS:22263-56-5KEGG COMPOUND
Citations